1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide

C15H14N4OS — CID 106771922

IUPAC1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCCc2cscn2)c2ccccc12
InChIInChI=1S/C15H14N4OS/c16-14-12-4-2-1-3-11(12)13(7-18-14)15(20)17-6-5-10-8-21-9-19-10/h1-4,7-9H,5-6H2,(H2,16,18)(H,17,20)
InChIKeyOZRZTPYPUJFRAI-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.25
Rot. Bonds4

About 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide

1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide (PubChem CID 106771922) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
PubChem CID106771922
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCCc2cscn2)c2ccccc12
InChIInChI=1S/C15H14N4OS/c16-14-12-4-2-1-3-11(12)13(7-18-14)15(20)17-6-5-10-8-21-9-19-10/h1-4,7-9H,5-6H2,(H2,16,18)(H,17,20)
InChIKeyOZRZTPYPUJFRAI-UHFFFAOYSA-N
XLogP2.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
2-[(1-aminoisoquinoline-4-carbonyl)amino]ethyl carbamate
CID 106772640
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
1-[2-(1,3-thiazol-4-yl)ethylamino]isoquinoline-4-carboxylic acid
CID 106767085
1-amino-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106772541
1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106772963
5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519272
3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63832003

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide (CID 106771922) is 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide is Nc1ncc(C(=O)NCCc2cscn2)c2ccccc12.
What is the InChIKey of 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide?
The InChIKey is OZRZTPYPUJFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-14-12-4-2-1-3-11(12)13(7-18-14)15(20)17-6-5-10-8-21-9-19-10/h1-4,7-9H,5-6H2,(H2,16,18)(H,17,20).
What are the key properties of 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide?
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide is sourced from PubChem (CID 106771922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).